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Impurities and reference standards

Neoisomenthol

Also known as (+)-neoisomenthol, (1R,2R,5R)-2-isopropyl-5-methylcyclohexanol, d-neo-Menthol

CAS 20752-34-5Formula C10H20OMolar mass 156.27 g/molEC 207-724-8
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Neoisomenthol chemical structure, C10H20O, CAS 20752-34-5
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Crystals
Melting point
37.8 °C
Boiling point
216.1 °C
Density
0.904 at 59 °F - Less dense than water, will float
Flash point
91.1 °C
HS code
290611
Category
Impurities and reference standards
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Neoisomenthol?

Plain description, key identifiers and synonyms

Neoisomenthol is a p-menthan-3-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CAS number
20752-34-5 CAS number cross-checkedOther or deprecated CAS: 490-99-3, 491-02-1, 89-78-1
EC number
207-724-8
Molecular formula
C10H20O
UNII
90E7IB31QH
MDL number
MFCD09834087
InChIKey
NOOLISFMXDJSKH-OPRDCNLKSA-N
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
Canonical SMILES
CC1CCC(C(C)C)C(O)C1
Isomeric SMILES
C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)C

Synonyms

  • (+)-neoisomenthol
  • (1R,2R,5R)-2-isopropyl-5-methylcyclohexanol
  • d-neo-Menthol
  • (1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
  • (R,R,R)-Menthol
  • iso-neomenthol
  • (+/-)-Neoisomenthol
  • (1R,2R,5R)-Isomenthol
  • Neoisomenthol, (+)-
  • cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-
  • (1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
  • cis-1,3,cis-1,4-menthol
  • rel-(1R,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol
  • (1R,2R,5R)-2-Isopropyl-5-methylcyclohexan-1-ol
  • (1R,2R,5R)-rel-2-Isopropyl-5-methylcyclohexanol
  • (1alpha,2alpha,5alpha)-5-methyl-2-(1-methylethyl)cyclohexanol
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2alpha,5alpha)-
  • (A+/-)-neoisomenthol
  • (1R,?2R,?5R)?-?2-?Isopropyl-?5-?methylcyclohexanol
  • Isoneomenthol
  • (1R,2R,5R)-2-Isopropyl-5-methyl-cyclohexanol
  • ()-Neoisomenthol
  • menthol (iso-)
  • Emtricitabine Impurity 27
  • (1R)-(+)-neoisomenthol
Show all 33 synonyms
  • (1R,3R,4R)-form
  • Noolisfmxdjskh-oprdcnlksa-
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1theta-(1alpha,2alpha,5alpha))-
  • Menthol, (1R,3R,4R)-(+)-
  • ( inverted exclamation markA)-Neoisomenthol
  • 2-Isopropyl-5-methylcyclohexanol, (1alpha,2alpha,5alpha)-
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1r-(1alpha,2alpha,5.alpha.))-
  • (1alpha,2alpha,5alpha)-5-methyl-2-(1-methylethyl)cyclohexanol, cis-1,3,cis-1,4-menthol, iso-neomenthol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Physical form
Crystalsexp.
Melting point
37.8 °Cexp.
Boiling point
216.1 °Cexp.
Density
0.904 at 59 °F - Less dense than water, will floatexp.
Flash point
91.1 °Cexp.
Solubility
Less than 1 mg/mL at 70 °Fexp.
Vapour pressure
1 mmHg at 133 °F approximatelyexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
156.27 g/molcalc.
Exact mass
156.1514 Dacalc.
LogP (octanol/water)
2.44calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Neoisomenthol suppliers

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Where suppliers are based

1 supplier in 1 country

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Neoisomenthol price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Industrial uses: Odor agents, Fragrance.

Consumer uses: Fragrance.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Neoisomenthol is traded under.

HS 2906.11Indicative HS code

Menthol

World exports in 2024
$699M
+8.8% vs 2023, imports $669M
2019 to 2024
Top exporters
  1. China28.4%
  2. India * partner reported24.1%
  3. Germany20.7%
Top importers
  1. India * partner reported21.3%
  2. China17.9%
  3. United States10.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Neoisomenthol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Neoisomenthol, based on the data on this page

What is Neoisomenthol?

Neoisomenthol is a p-menthan-3-ol.

What is the CAS number of Neoisomenthol?

The CAS registry number of Neoisomenthol is 20752-34-5. Other or deprecated CAS numbers: 490-99-3, 491-02-1, 89-78-1.

What is the molecular formula and weight of Neoisomenthol?

The molecular formula of Neoisomenthol is C10H20O and its molar mass is 156.27 g/mol.

What is Neoisomenthol used for?

Industrial uses: Odor agents, Fragrance. Consumer uses: Fragrance.

Is Neoisomenthol hazardous?

Neoisomenthol carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Neoisomenthol?

Neoisomenthol is usually classified under HS code 290611 (Menthol). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Neoisomenthol?

CompoundList lists 1 supplier of Neoisomenthol in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Neoisomenthol?

Suppliers quote Neoisomenthol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Neoisomenthol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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